SCHEMBL21453258

SCHEMBL21453258

N#Cc1cc(-c2cccc(-n3c4cc5c6ccccc6n(-c6ccccc6)c5cc4c4cccnc43)c2)cc(-n2c3ccccc3c3cc(C#N)ccc32)c1

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ DDB1 Q16531 1/20 0.38
▸ CRBN Q96SW2 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.36
▸ TSHR P16473 1/20 0.36
▸ CYP2C19 P33261 1/20 0.36
▸ PDE4B Q07343 1/20 0.35
▸ PDE4D Q08499 1/20 0.35
▸ CLK4 Q9HAZ1 1/20 0.34
▸ GRM5 P41594 6/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ ATM Q13315 1/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ ELANE P08246 1/20 0.34
▸ ABCG2 Q9UNQ0 1/20 0.33
▸ PGR P06401 1/20 0.33
▸ PTGER4 P35408 1/20 0.33
▸ KCNN4 O15554 1/20 0.32
▸ KCNA5 P22460 1/20 0.32
▸ FEN1 P39748 1/20 0.32

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL21453850 0.97 DDB1 (0.37) DDB1CRBNALDH1A1TSHRCYP2C19
SCHEMBL21454337 0.96 ALDH1A1 (0.38) DDB1CRBNALDH1A1TSHRCYP2C19
SCHEMBL21397118 0.96 DDB1 (0.40) DDB1CRBNALDH1A1TSHRCYP2C19
SCHEMBL21453906 0.95 DDB1 (0.41) DDB1CRBNALDH1A1TSHRCYP2C19
SCHEMBL21454342 0.93 ALDH1A1 (0.38) DDB1CRBNALDH1A1TSHRCYP2C19
SCHEMBL21453273 0.93 DDB1 (0.35) DDB1CRBNALDH1A1TSHRCYP2C19
SCHEMBL21453252 0.92 DDB1 (0.40) DDB1CRBNALDH1A1TSHRCYP2C19
SCHEMBL21453851 0.92 DDB1 (0.36) DDB1CRBNALDH1A1TSHRCYP2C19
SCHEMBL21453971 0.91 DDB1 (0.43) DDB1CRBNALDH1A1TSHRCYP2C19
SCHEMBL17424676 0.91 DDB1 (0.43) DDB1CRBNALDH1A1TSHRCYP2C19

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11469381-B2 Condensed cyclic compound and organic light-emitting device including the same SAMSUNG ELECTRONICS CO., LTD. (KR) 2022-10-11 — — US disclosed
US-20190312209-A1 CONDENSED CYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME SAMSUNG ELECTRONICS CO., LTD. (KR) 2019-10-10 — — US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-11469381-B2 Condensed cyclic compound and organic light-emitting device including the same ARL1, CCNL2, CRY1 DDB1 1386/4885CRBN 817/4885ALDH1A1 312/4885
US-20190312209-A1 CONDENSED CYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME ARL1, CCNL2, CRY1 DDB1 1386/4885CRBN 817/4885ALDH1A1 312/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

Send feedback